Dear Amber users,
I am very interested to know what the experience in the
community has been regarding MD simulations of NMR structures: are
'minimized average structures' in PDB files better behaved (for example
smaller rmsd's from the experimental structure) than individual ensemble
members in multi-model (ensemble) PDB files (or vice versa)?
Thanks very much.
Cheers,
Vidana.
Vidana C. Epa
CSIRO,
Division of Molecular Health & Technologies,
343 Royal Parade,
Parkville, Victoria 3052,
AUSTRALIA.
tel: (61) - 3 - 9662 - 7345
fax:(61) - 3 - 9662 - 7347
email: Vidana.Epa.csiro.au
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Received on Sun Feb 10 2008 - 06:07:02 PST
